Ixazomib citrate
2-[4-(carboxymethyl)-2-[(1R)-1-[[2-[(2,5-dichlorobenzoyl)amino]acetyl]amino]-3-methylbutyl]-5-oxo-1,3,2-dioxaborolan-4-yl]acetic acid
Molecular Identity
Ixazomib citrate
2-[4-(carboxymethyl)-2-[(1R)-1-[[2-[(2,5-dichlorobenzoyl)amino]acetyl]amino]-3-methylbutyl]-5-oxo-1,3,2-dioxaborolan-4-yl]acetic acid
PubChem CID: 56844015
Ixazomib citrate is a glycine derivative that is the amide obtained by formal condensation of the carboxy group of N-(2,5-dichlorobenzoyl)glycine with the amino group of 2,2'-{2-[(1R)-1-amino-3-methylbutyl]-5-oxo-1,3,2-dioxaborolane-4,4-diyl}diacetic acid. A prodrug for ixazomib that is used in combination therapy for treatment of multiple myeloma. It has a role as an antineoplastic agent, a prodrug, a proteasome inhibitor, an apoptosis inducer and an orphan drug. It is a member of benzamides, a dichlorobenzene, a glycine derivative, an oxo dicarboxylic acid and a 1,3,2-dioxaborolane. It is functionally related to an ixazomib.
2D Structure
Properties
C20H23BCl2N2O9
Molecular Formula
517.10
Molecular Weight
g/mol
516.0874
Exact Mass
Da
168
TPSA
May have limited oral absorption
4
H-Bond Donors
9
H-Bond Acceptors
797
Complexity
SMILES
Canonical SMILES
SMILES: B1(OC(=O)C(O1)(CC(=O)O)CC(=O)O)C(CC(C)C)NC(=O)CNC(=O)C2=C(C=CC(=C2)Cl)ClIsomeric SMILES
SMILES: B1(OC(=O)C(O1)(CC(=O)O)CC(=O)O)[C@H](CC(C)C)NC(=O)CNC(=O)C2=C(C=CC(=C2)Cl)ClSynonyms(20)
Ixazomib citrate1239908-20-3NINLAROIxazomib citrate [USAN]Ixazomib citrate (Ester)UNII-46CWK97Z3K46CWK97Z3K(R)-2,2'-(2-(1-(2-(2,5-Dichlorobenzamido)acetamido)-3-methylbutyl)-5-oxo-1,3,2-dioxaborolane-4,4-diyl)diacetic acidIXAZOMIB CITRATE [MI]1,3,2-Dioxaborolane-4,4-diacetic acid, 2-[(1R)-1-[[2-[(2,5-dichlorobenzoyl)amino]acetyl]amino]-3-methylbutyl]-5-oxo-DTXSID60924652EX-A3660AKOS030632768IXAZOMIB CITRATE [ORANGE BOOK]2-[4-(carboxymethyl)-2-[(1R)-1-[[2-[(2,5-dichlorobenzoyl)amino]acetyl]amino]-3-methylbutyl]-5-oxo-1,3,2-dioxaborolan-4-yl]acetic acid
Data from PubChem (NCBI)
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